TL;DR: 7-Amino-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione (CAS 159897-52-6) is a chemical compound with molecular formula C11H8N4S2 and molecular weight 260.01904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-amino-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
Also Known As: NCI60_017584, 7-Amino-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione, 7-amino-3-phenylthiazolo[4,5-d]pyrimidin-2(3H)-thione, 7-Amino-3-phenyl-thiazolo[4,5-d]pyrimidin-2-thion, 7-amino-3-phenyl-thiazolo[4,5-d]pyrimidine-2-thione
| Molecular Formula | C11H8N4S2 |
| Molecular Weight | 260.01904 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.01904 Da |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
| SMILES | C1=CC=C(C=C1)N2C3=NC=NC(=C3SC2=S)N |
| InChIKey | UBPKNSFYSVPNCV-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Amino-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Amino-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione. Following Lipinski's Rule of Five, 7-Amino-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-Amino-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione is 159897-52-6.
The molecular formula of 7-Amino-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione is C11H8N4S2.
The molecular weight of 7-Amino-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione is 260.01904 g/mol.
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